⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL248071 | 0.79 | — | — | |
| SCHEMBL127487 | 0.74 | ALDH1A1 (0.38) | — | |
| SCHEMBL361077 | 0.74 | ALDH1A1 (0.38) | — | |
| SCHEMBL11006129 | 0.73 | — | — | |
| Bromide SCHEMBL4276596 | 0.71 | ALDH1A1 (0.35) | — | |
| Water SCHEMBL5407251 | 0.71 | ALDH1A1 (0.35) | — | |
| Hydrochloric Acid SCHEMBL142823 | 0.71 | ALDH1A1 (0.35) | — | |
| SCHEMBL9805972 | 0.69 | — | — | |
| SCHEMBL8667766 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL11564793 | 0.69 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0045155-B1 | GUANIDINE DERIVATIVES | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1985-01-02 | — | — | EP | claimed |
| US-20130023591-A1 | Phenyl-Containing Organopolysiloxane Composition, Raw Cosmetic Material, and Glossy Cosmetic Material | DOW CORNING TORAY CO., LTD. (JP) | 2013-01-24 | — | — | US | disclosed |
| US-20040229980-A1 | Polymeric asphalt anti-stripping agent | GUILBAULT LAWRENCE JAMES (US) | 2004-11-18 | — | — | US | disclosed |
| EP-1367096-A1 | Polymeric asphalt anti-stripping agent | ROHM AND HAAS COMPANY (US) | 2003-12-03 | — | — | EP | disclosed |
| CN-1089787-C | Cationic starch/vinyl acetate containing board coating binders | PENFORD PRODUCTS CO (US) | 2002-08-28 | — | — | CN | disclosed |